N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide

C21H26N2O — CID 52675045

IUPACN-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
SMILESCCN(C(=O)CN(Cc1ccccc1)Cc1ccccc1)C1CC1
InChIInChI=1S/C21H26N2O/c1-2-23(20-13-14-20)21(24)17-22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyBEQOKLVYXKDJKT-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.70
Rot. Bonds8

About N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide

N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide (PubChem CID 52675045) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
PubChem CID52675045
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
SMILESCCN(C(=O)CN(Cc1ccccc1)Cc1ccccc1)C1CC1
InChIInChI=1S/C21H26N2O/c1-2-23(20-13-14-20)21(24)17-22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyBEQOKLVYXKDJKT-UHFFFAOYSA-N
XLogP3.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434
2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 60500084
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclopropyl-N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974289
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide (CID 52675045) is N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide is CCN(C(=O)CN(Cc1ccccc1)Cc1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide?
The InChIKey is BEQOKLVYXKDJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-23(20-13-14-20)21(24)17-22(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3.
What are the key properties of N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide?
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide has a molecular weight of 322.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide is sourced from PubChem (CID 52675045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).