N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride

C13H28ClN3O2 — CID 119523411

IUPACN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCNC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-12(2,3)11(18)15-8-6-7-10(17)16-13(4,5)9-14;/h6-9,14H2,1-5H3,(H,15,18)(H,16,17);1H
InChIKeyHXJPEGZPOOPPAP-UHFFFAOYSA-N
MW293.84 g/mol
LogP1.20
Rot. Bonds6

About N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride

N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119523411) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119523411
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC NameN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCNC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-12(2,3)11(18)15-8-6-7-10(17)16-13(4,5)9-14;/h6-9,14H2,1-5H3,(H,15,18)(H,16,17);1H
InChIKeyHXJPEGZPOOPPAP-UHFFFAOYSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119522998
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
CID 119523315
prop-2-enyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 78838677
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
CID 146357651
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
3-[4-(2,2-dimethylpropanoylamino)butanoylamino]-4-methoxy-3-methylbutanoic acid
CID 75445940
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119615517
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride (CID 119523411) is N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)NC(=O)CCCNC(=O)C(C)(C)C.Cl.
What is the InChIKey of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is HXJPEGZPOOPPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-12(2,3)11(18)15-8-6-7-10(17)16-13(4,5)9-14;/h6-9,14H2,1-5H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride?
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119523411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).