N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide

C9H16N4O2 — CID 47395534

IUPACN-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H16N4O2/c1-6(4-10)5-13(3)7(2)8(14)12-9(11)15/h6-7H,5H2,1-3H3,(H3,11,12,14,15)
InChIKeyVSXPRCSWDPZWEP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.34
Rot. Bonds4

About N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide

N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide (PubChem CID 47395534) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
PubChem CID47395534
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H16N4O2/c1-6(4-10)5-13(3)7(2)8(14)12-9(11)15/h6-7H,5H2,1-3H3,(H3,11,12,14,15)
InChIKeyVSXPRCSWDPZWEP-UHFFFAOYSA-N
XLogP-0.34
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide
CID 130749805
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 54992578
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248
(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
CID 62021615

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide (CID 47395534) is N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide is CC(C#N)CN(C)C(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide?
The InChIKey is VSXPRCSWDPZWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(4-10)5-13(3)7(2)8(14)12-9(11)15/h6-7H,5H2,1-3H3,(H3,11,12,14,15).
What are the key properties of N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide?
N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide is sourced from PubChem (CID 47395534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).