N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

C21H35N3O3 — CID 31370044

IUPACN-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-4-24(5-2)19(26)14-23(3)18(25)6-7-22-20(27)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,4-14H2,1-3H3,(H,22,27)
InChIKeyJMDQPXDEMHGJSX-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.04
Rot. Bonds8

About N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 31370044) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID31370044
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-4-24(5-2)19(26)14-23(3)18(25)6-7-22-20(27)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,4-14H2,1-3H3,(H,22,27)
InChIKeyJMDQPXDEMHGJSX-UHFFFAOYSA-N
XLogP2.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620754
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55860381
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-[2-(diethylamino)propyl]adamantane-1-carboxamide
CID 112502200

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 31370044) is N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is CCN(CC)C(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is JMDQPXDEMHGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-4-24(5-2)19(26)14-23(3)18(25)6-7-22-20(27)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,4-14H2,1-3H3,(H,22,27).
What are the key properties of N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 31370044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).