N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride

C13H29ClN4O2 — CID 119653315

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H28N4O2.ClH/c1-5-6-7-10(16-12(15)19)11(18)17(4)9-13(2,3)8-14;/h10H,5-9,14H2,1-4H3,(H3,15,16,19);1H
InChIKeyHXGDZTOOSZZYQE-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.08
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride (PubChem CID 119653315) has the molecular formula C13H29ClN4O2 and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride
PubChem CID119653315
Molecular FormulaC13H29ClN4O2
Molecular Weight308.85 g/mol
Exact Mass308.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H28N4O2.ClH/c1-5-6-7-10(16-12(15)19)11(18)17(4)9-13(2,3)8-14;/h10H,5-9,14H2,1-4H3,(H3,15,16,19);1H
InChIKeyHXGDZTOOSZZYQE-UHFFFAOYSA-N
XLogP1.08
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride
CID 119655370
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
CID 107146867
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119565556
N'-[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]oxamide;dihydrochloride
CID 89303124
(2R)-2-acetamido-5-amino-N-methyl-N-(2-oxononadecyl)pentanamide
CID 159201079
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride (CID 119653315) is N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride?
The InChIKey is HXGDZTOOSZZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2.ClH/c1-5-6-7-10(16-12(15)19)11(18)17(4)9-13(2,3)8-14;/h10H,5-9,14H2,1-4H3,(H3,15,16,19);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride is sourced from PubChem (CID 119653315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).