N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide

C8H13N3O2 — CID 130749805

IUPACN-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(C)C(C)C(=O)NC(N)=O
InChIInChI=1S/C8H13N3O2/c1-4-5-11(3)6(2)7(12)10-8(9)13/h1,6H,5H2,2-3H3,(H3,9,10,12,13)
InChIKeyLGSDXDXVZMNRAX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.87
Rot. Bonds3

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

N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide (PubChem CID 130749805) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide
PubChem CID130749805
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide
SMILESC#CCN(C)C(C)C(=O)NC(N)=O
InChIInChI=1S/C8H13N3O2/c1-4-5-11(3)6(2)7(12)10-8(9)13/h1,6H,5H2,2-3H3,(H3,9,10,12,13)
InChIKeyLGSDXDXVZMNRAX-UHFFFAOYSA-N
XLogP-0.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395534
(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248
N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
N-carbamoyl-2-methylpropanamide
CID 541584
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
N-carbamoyl-2-[methyl(2-piperidin-2-ylethyl)amino]propanamide
CID 66273844
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-carbamoylpropanamide
CID 47085281
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
CID 62021615

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide (CID 130749805) is N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide is C#CCN(C)C(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide?
The InChIKey is LGSDXDXVZMNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-5-11(3)6(2)7(12)10-8(9)13/h1,6H,5H2,2-3H3,(H3,9,10,12,13).
What are the key properties of N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide?
N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide is sourced from PubChem (CID 130749805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).