N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide

C14H28N2O — CID 81393460

IUPACN-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-10-15-11-14(17)16-12(2)13-8-6-4-5-7-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyFHFNIPNDRLYZPQ-LBPRGKRZSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide

N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide (PubChem CID 81393460) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
PubChem CID81393460
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-10-15-11-14(17)16-12(2)13-8-6-4-5-7-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyFHFNIPNDRLYZPQ-LBPRGKRZSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
N-(1-cyclohexylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79005691
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
N-[(1R)-1-cyclopentylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81389110
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide (CID 81393460) is N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide is CCCNCC(=O)N[C@@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide?
The InChIKey is FHFNIPNDRLYZPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-10-15-11-14(17)16-12(2)13-8-6-4-5-7-9-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide?
N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 81393460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).