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

C13H22N2O — CID 79277849

IUPACN,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H22N2O/c1-2-7-14-8-13(16)15(9-11-3-4-11)10-12-5-6-12/h2,11-12,14H,1,3-10H2
InChIKeyURWYNHAOLYOBMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.41
Rot. Bonds8

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

N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79277849) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
PubChem CID79277849
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H22N2O/c1-2-7-14-8-13(16)15(9-11-3-4-11)10-12-5-6-12/h2,11-12,14H,1,3-10H2
InChIKeyURWYNHAOLYOBMV-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide (CID 79277849) is N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is URWYNHAOLYOBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-7-14-8-13(16)15(9-11-3-4-11)10-12-5-6-12/h2,11-12,14H,1,3-10H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79277849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).