N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide

C43H54N2O4 — CID 66807872

IUPACN,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
SMILESCCCC(CCC)(C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1)C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1
InChIInChI=1S/C43H54N2O4/c1-3-25-41(26-4-2,39(46)44-37(42(48)27-11-5-12-28-42)35-23-15-19-31-17-7-9-21-33(31)35)40(47)45-38(43(49)29-13-6-14-30-43)36-24-16-20-32-18-8-10-22-34(32)36/h7-10,15-24,37-38,48-49H,3-6,11-14,25-30H2,1-2H3,(H,44,46)(H,45,47)/t37-,38-/m0/s1
InChIKeyGLDPNSRDCLDBFH-UWXQCODUSA-N
MW662.92 g/mol
LogP8.98
Rot. Bonds12

About N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide

N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide (PubChem CID 66807872) has the molecular formula C43H54N2O4 and a molecular weight of 662.92 g/mol. Its IUPAC name is N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
PubChem CID66807872
Molecular FormulaC43H54N2O4
Molecular Weight662.92 g/mol
Exact Mass662.41
IUPAC NameN,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
SMILESCCCC(CCC)(C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1)C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1
InChIInChI=1S/C43H54N2O4/c1-3-25-41(26-4-2,39(46)44-37(42(48)27-11-5-12-28-42)35-23-15-19-31-17-7-9-21-33(31)35)40(47)45-38(43(49)29-13-6-14-30-43)36-24-16-20-32-18-8-10-22-34(32)36/h7-10,15-24,37-38,48-49H,3-6,11-14,25-30H2,1-2H3,(H,44,46)(H,45,47)/t37-,38-/m0/s1
InChIKeyGLDPNSRDCLDBFH-UWXQCODUSA-N
XLogP8.98
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.92
LogP ≤ 58.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 141117170
N,N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807723
N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807724
1-N,1-N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807911
N,N'-bis[(S)-(1-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 66807786
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
butyl-[1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]piperidin-4-yl]carbamic acid
CID 174524452
1-[(R)-amino(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 66807782
1-N,1-N'-bis[(1S)-2-ethyl-2-hydroxy-1-naphthalen-1-ylbutyl]cyclohexane-1,1-dicarboxamide
CID 66807731
1-[2-[[(2R)-2-(dimethylamino)propyl]-methylamino]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 143037071
N,N'-bis[2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-3-naphthalen-1-ylpropyl]-2,2-dipropylpropanediamide
CID 87160884

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide?
The IUPAC name of N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide (CID 66807872) is N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide.
What is the SMILES notation for N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide?
The canonical SMILES for N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide is CCCC(CCC)(C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1)C(=O)N[C@@H](c1cccc2ccccc12)C1(O)CCCCC1.
What is the InChIKey of N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide?
The InChIKey is GLDPNSRDCLDBFH-UWXQCODUSA-N. The full InChI is InChI=1S/C43H54N2O4/c1-3-25-41(26-4-2,39(46)44-37(42(48)27-11-5-12-28-42)35-23-15-19-31-17-7-9-21-33(31)35)40(47)45-38(43(49)29-13-6-14-30-43)36-24-16-20-32-18-8-10-22-34(32)36/h7-10,15-24,37-38,48-49H,3-6,11-14,25-30H2,1-2H3,(H,44,46)(H,45,47)/t37-,38-/m0/s1.
What are the key properties of N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide?
N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide has a molecular weight of 662.92 g/mol, XLogP of 8.98, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide is sourced from PubChem (CID 66807872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).