N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide

C9H16N2O — CID 28563388

IUPACN-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC1CC1
InChIInChI=1S/C9H16N2O/c1-2-5-10-7-9(12)11-6-8-3-4-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyWODCFUCCFCNOMX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide

N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide (PubChem CID 28563388) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
PubChem CID28563388
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC1CC1
InChIInChI=1S/C9H16N2O/c1-2-5-10-7-9(12)11-6-8-3-4-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyWODCFUCCFCNOMX-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119748911
2-(cyclopropylmethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
CID 119748912
N~1~-allyl-N~2~-isopentylethanediamide
CID 21369924
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
CID 51073538
N,N-bis(prop-2-enyl)-2-(prop-2-enylamino)acetamide
CID 54818176
N-prop-2-enyl-2-(prop-2-enylamino)acetamide
CID 54818259
2-(2-methylpropylamino)-N-prop-2-enylacetamide
CID 86129673
N-[2-(2-methylpropylamino)-2-oxoethyl]prop-2-enamide
CID 88288371
[2-(Butylamino)-2-oxoethyl]-methyl-bis(prop-2-enyl)azanium chloride
CID 88622446
N-[2-(2-methylcyclopropyl)ethyl]-2-[2-methylpropyl(prop-2-enyl)amino]acetamide
CID 91365150
Iminodi(N-allylacetamide)
CID 121412691
Methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium
CID 161259918

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide (CID 28563388) is N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is WODCFUCCFCNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-10-7-9(12)11-6-8-3-4-8/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 28563388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).