2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide

C13H24N2O2 — CID 103821244

IUPAC2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(N)C2CC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-12(5-7-17-8-6-12)9-15-11(16)13(2,14)10-3-4-10/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyGMPQKDVRMLYJRR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide (PubChem CID 103821244) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide
PubChem CID103821244
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(N)C2CC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-12(5-7-17-8-6-12)9-15-11(16)13(2,14)10-3-4-10/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyGMPQKDVRMLYJRR-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
CID 57797483
(2S)-2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 61154414
(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 63705806
(2S)-2-amino-4-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 63707986
2-amino-3,3-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 68922402
4-amino-N-(2-methylpropyl)oxane-4-carboxamide
CID 69408628
4-(4,4-dimethylpentylamino)-N-methyloxane-4-carboxamide
CID 70791622
(2S)-2-amino-4-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 126504905
4-tert-butyl-N-(cyclopropylmethyl)oxane-4-carboxamide
CID 140911431
4-tert-butyl-N-cyclopropyloxane-4-carboxamide
CID 140911436
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide
CID 143418847

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide (CID 103821244) is 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide is CC1(CNC(=O)C(C)(N)C2CC2)CCOCC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The InChIKey is GMPQKDVRMLYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(5-7-17-8-6-12)9-15-11(16)13(2,14)10-3-4-10/h10H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 103821244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).