(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

C22H37N3O2 — CID 7323883

IUPAC(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCN(CC)CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H37N3O2/c1-6-25(7-2)14-8-13-23-21(26)15-18(5)16-22(27)24-20-11-9-19(10-12-20)17(3)4/h9-12,17-18H,6-8,13-16H2,1-5H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyLXLCAFFEZAMMSY-GOSISDBHSA-N
MW375.56 g/mol
LogP4.01
Rot. Bonds12

About (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 7323883) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound Name(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID7323883
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCN(CC)CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H37N3O2/c1-6-25(7-2)14-8-13-23-21(26)15-18(5)16-22(27)24-20-11-9-19(10-12-20)17(3)4/h9-12,17-18H,6-8,13-16H2,1-5H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyLXLCAFFEZAMMSY-GOSISDBHSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 51362485
N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 126478016
N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 4567279
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323824
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (CID 7323883) is (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is CCN(CC)CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is LXLCAFFEZAMMSY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-6-25(7-2)14-8-13-23-21(26)15-18(5)16-22(27)24-20-11-9-19(10-12-20)17(3)4/h9-12,17-18H,6-8,13-16H2,1-5H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 375.56 g/mol, XLogP of 4.01, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 7323883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).