3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C19H29N3O2 — CID 87013801

IUPAC3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)CN(CCC(=O)NC1CCCc2ccccc21)CC(N)=O
InChIInChI=1S/C19H29N3O2/c1-14(2)12-22(13-18(20)23)11-10-19(24)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDQDFQVVZUHEJKS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.01
Rot. Bonds8

About 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 87013801) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID87013801
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)CN(CCC(=O)NC1CCCc2ccccc21)CC(N)=O
InChIInChI=1S/C19H29N3O2/c1-14(2)12-22(13-18(20)23)11-10-19(24)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDQDFQVVZUHEJKS-UHFFFAOYSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxyethyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110892171
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 98750995
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9132035
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 87013801) is 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(C)CN(CCC(=O)NC1CCCc2ccccc21)CC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is DQDFQVVZUHEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-22(13-18(20)23)11-10-19(24)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17H,5,7,9-13H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 87013801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).