N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

C20H33N3O — CID 56510564

IUPACN-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)NCCCN1CCCCCC1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-3-22(2)19(18-12-7-6-8-13-18)20(24)21-14-11-17-23-15-9-4-5-10-16-23/h6-8,12-13,19H,3-5,9-11,14-17H2,1-2H3,(H,21,24)
InChIKeyRSLLRUJQAASJMS-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.06
Rot. Bonds8

About N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (PubChem CID 56510564) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
PubChem CID56510564
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)NCCCN1CCCCCC1)c1ccccc1
InChIInChI=1S/C20H33N3O/c1-3-22(2)19(18-12-7-6-8-13-18)20(24)21-14-11-17-23-15-9-4-5-10-16-23/h6-8,12-13,19H,3-5,9-11,14-17H2,1-2H3,(H,21,24)
InChIKeyRSLLRUJQAASJMS-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392036
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125057669
2-methyl-3-[4-[(2R)-1-oxo-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid
CID 11667656
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125072960
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (CID 56510564) is N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is CCN(C)C(C(=O)NCCCN1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is RSLLRUJQAASJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-22(2)19(18-12-7-6-8-13-18)20(24)21-14-11-17-23-15-9-4-5-10-16-23/h6-8,12-13,19H,3-5,9-11,14-17H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 331.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 56510564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).