3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C14H19N3O2 — CID 94199738

IUPAC3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESNC(=O)NCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C14H19N3O2/c15-14(19)16-9-8-13(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,17,18)(H3,15,16,19)/t12-/m0/s1
InChIKeyMYLAYXZLCYUCIQ-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds4

About 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 94199738) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID94199738
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESNC(=O)NCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C14H19N3O2/c15-14(19)16-9-8-13(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,17,18)(H3,15,16,19)/t12-/m0/s1
InChIKeyMYLAYXZLCYUCIQ-LBPRGKRZSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
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
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 94199738) is 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is NC(=O)NCCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is MYLAYXZLCYUCIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)16-9-8-13(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9H2,(H,17,18)(H3,15,16,19)/t12-/m0/s1.
What are the key properties of 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 94199738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).