3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide

C19H30N2O2 — CID 119951819

IUPAC3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)18-15(10-7-11-23-18)13-21-17(22)12-16(20)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13,20H2,1-3H3,(H,21,22)
InChIKeyDNBNPAQSZQECDA-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.03
Rot. Bonds5

About 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide

3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide (PubChem CID 119951819) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
PubChem CID119951819
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
SMILESCC(C)(C)C1OCCCC1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)18-15(10-7-11-23-18)13-21-17(22)12-16(20)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13,20H2,1-3H3,(H,21,22)
InChIKeyDNBNPAQSZQECDA-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111428448
4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
CID 120592868
N-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86971606
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950772
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
1-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-3-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 99809107
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide (CID 119951819) is 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide is CC(C)(C)C1OCCCC1CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is DNBNPAQSZQECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)18-15(10-7-11-23-18)13-21-17(22)12-16(20)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide?
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119951819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).