N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide

C20H28N2O2 — CID 95293621

IUPACN-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESC[C@H](c1ccccc1)N(CC1CC1)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C20H28N2O2/c1-15(17-6-3-2-4-7-17)22(14-16-9-10-16)19(23)8-5-13-21-20(24)18-11-12-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyHSIKCRRDRFTPTN-OAHLLOKOSA-N
MW328.46 g/mol
LogP3.29
Rot. Bonds9

About N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 95293621) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID95293621
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESC[C@H](c1ccccc1)N(CC1CC1)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C20H28N2O2/c1-15(17-6-3-2-4-7-17)22(14-16-9-10-16)19(23)8-5-13-21-20(24)18-11-12-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyHSIKCRRDRFTPTN-OAHLLOKOSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
3-[4-(cyclopropanecarbonylamino)butanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219157
N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 95635301
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
methyl 2-[4-(cyclopropanecarbonylamino)butanoylamino]-2-phenylacetate
CID 60613351
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-[4-[[(R)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 99846342
N-[4-[[(S)-[(1R,2R)-2-methylcyclopropyl]-phenylmethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97214050
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 95293621) is N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide is C[C@H](c1ccccc1)N(CC1CC1)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is HSIKCRRDRFTPTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(17-6-3-2-4-7-17)22(14-16-9-10-16)19(23)8-5-13-21-20(24)18-11-12-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 95293621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).