3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride

C12H24ClN3O2 — CID 119818633

IUPAC3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
SMILESCNCC(=O)NC(CC(N)=O)C1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-14-8-12(17)15-10(7-11(13)16)9-5-3-2-4-6-9;/h9-10,14H,2-8H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyNRDGXUSSLDKNEB-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.57
Rot. Bonds6

About 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride

3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride (PubChem CID 119818633) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
PubChem CID119818633
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
SMILESCNCC(=O)NC(CC(N)=O)C1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-14-8-12(17)15-10(7-11(13)16)9-5-3-2-4-6-9;/h9-10,14H,2-8H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyNRDGXUSSLDKNEB-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
CID 90253995
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
CID 119818622
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
CID 96524082
3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 119818654
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(1-cyclohexyl-2-oxoethyl)-2-(methylamino)acetamide
CID 143623546
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 91430942
3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
CID 75433273
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
ethyl 3-[(2-chloroacetyl)amino]-3-cycloheptylpropanoate
CID 136575188
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride?
The IUPAC name of 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride (CID 119818633) is 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride?
The canonical SMILES for 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride is CNCC(=O)NC(CC(N)=O)C1CCCCC1.Cl.
What is the InChIKey of 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride?
The InChIKey is NRDGXUSSLDKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-14-8-12(17)15-10(7-11(13)16)9-5-3-2-4-6-9;/h9-10,14H,2-8H2,1H3,(H2,13,16)(H,15,17);1H.
What are the key properties of 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride?
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 119818633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).