N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide

C14H27N3O2 — CID 64563638

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CCCCCN1
InChIInChI=1S/C14H27N3O2/c1-4-10-17(11-13(18)16(2)3)14(19)12-8-6-5-7-9-15-12/h12,15H,4-11H2,1-3H3
InChIKeyKQGJEDNSUSCURR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.85
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide (PubChem CID 64563638) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
PubChem CID64563638
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CCCCCN1
InChIInChI=1S/C14H27N3O2/c1-4-10-17(11-13(18)16(2)3)14(19)12-8-6-5-7-9-15-12/h12,15H,4-11H2,1-3H3
InChIKeyKQGJEDNSUSCURR-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 54872870
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide (CID 64563638) is N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide is CCCN(CC(=O)N(C)C)C(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide?
The InChIKey is KQGJEDNSUSCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-10-17(11-13(18)16(2)3)14(19)12-8-6-5-7-9-15-12/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide is sourced from PubChem (CID 64563638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).