4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide

C12H20N2O2 — CID 103156476

IUPAC4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
SMILESC#CCN(CC1CC1)C(=O)CC(CN)OC
InChIInChI=1S/C12H20N2O2/c1-3-6-14(9-10-4-5-10)12(15)7-11(8-13)16-2/h1,10-11H,4-9,13H2,2H3
InChIKeyUGNANHJDBRFKSO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.22
Rot. Bonds7

About 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide

4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide (PubChem CID 103156476) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
PubChem CID103156476
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
SMILESC#CCN(CC1CC1)C(=O)CC(CN)OC
InChIInChI=1S/C12H20N2O2/c1-3-6-14(9-10-4-5-10)12(15)7-11(8-13)16-2/h1,10-11H,4-9,13H2,2H3
InChIKeyUGNANHJDBRFKSO-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide (CID 103156476) is 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide is C#CCN(CC1CC1)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide?
The InChIKey is UGNANHJDBRFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-6-14(9-10-4-5-10)12(15)7-11(8-13)16-2/h1,10-11H,4-9,13H2,2H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide?
4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide is sourced from PubChem (CID 103156476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).